CID 82231974

7-bromo-2-ethyl-3,4-dihydro-2h-1,4-benzoxazine

Structural Information

Molecular Formula
C10H12BrNO
SMILES
CCC1CNC2=C(O1)C=C(C=C2)Br
InChI
InChI=1S/C10H12BrNO/c1-2-8-6-12-9-4-3-7(11)5-10(9)13-8/h3-5,8,12H,2,6H2,1H3
InChIKey
UGBGNBQFHBHMPG-UHFFFAOYSA-N
Compound name
7-bromo-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

241.01022 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.01750 146.2
[M+Na]+ 263.99944 156.9
[M-H]- 240.00294 151.0
[M+NH4]+ 259.04404 165.5
[M+K]+ 279.97338 146.4
[M+H-H2O]+ 224.00748 146.1
[M+HCOO]- 286.00842 161.7
[M+CH3COO]- 300.02407 160.1
[M+Na-2H]- 261.98489 154.6
[M]+ 241.00967 162.6
[M]- 241.01077 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe